Cas no 67738-02-7 (()-(1α,3β,4β)-3-hydroxy-α,α,4-trimethylcyclohexanemethanol)
67738-02-7 structure
Product Name:()-(1α,3β,4β)-3-hydroxy-α,α,4-trimethylcyclohexanemethanol
CAS No:67738-02-7
MF:C10H20O2
MW:172.264603614807
CID:1721465
PubChem ID:90684496
Update Time:2024-03-01
()-(1α,3β,4β)-3-hydroxy-α,α,4-trimethylcyclohexanemethanol Chemical and Physical Properties
Names and Identifiers
-
- (1)-(1alpha,3beta,4beta)-3-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol
- ()-(1α
- ,α
- ,3β
- ,4β
- ,4-trimethylcyclohexanemethanol
- (±)-(1alpha,3beta,4beta)-3-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol
- ()-(1α,3β,4β)-3-hydroxy-α,α,4-trimethylcyclohexanemethanol
-
- Inchi： 1S/C10H20O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
- InChI Key： QTJUHINKPNOAEU-XHNCKOQMSA-N
- SMILES： [C@@H]1(O)C[C@@H](C(O)(C)C)CC[C@@H]1C
Computed Properties
- Exact Mass: 172.146329876g/mol
- Monoisotopic Mass: 172.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 40.5?2
()-(1α,3β,4β)-3-hydroxy-α,α,4-trimethylcyclohexanemethanol Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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